3-isocyanato-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 3-isocyanato-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(benzenesulfonyl)-3-isocyanato-3,4-dihydro-1H-isoquinoline CAS Name: 2-(benzenesulfonyl)-3-isocyanato-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(benzenesulfonyl)-3-isocyanato-3,4-dihydro-1H-isoquinoline Traditional Name: 2-besyl-3-isocyanato-3,4-dihydro-1H-isoquinoline Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)N=C=O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)N=C=O

InChI

InChI=1S/C16H14N2O3S/c19-12-17-16-10-13-6-4-5-7-14(13)11-18(16)22(20,21)15-8-2-1-3-9-15/h1-9,16H,10-11H2